6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one

C19H16N4O — CID 20554331

IUPAC6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one
SMILESCCN1C(=O)c2cnc(-c3ccccc3)nc2Nc2ccccc21
InChIInChI=1S/C19H16N4O/c1-2-23-16-11-7-6-10-15(16)21-18-14(19(23)24)12-20-17(22-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,21,22)
InChIKeyBOVZUXBDAUSWNO-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.87
Rot. Bonds2

About 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one

6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one (PubChem CID 20554331) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one
PubChem CID20554331
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one
SMILESCCN1C(=O)c2cnc(-c3ccccc3)nc2Nc2ccccc21
InChIInChI=1S/C19H16N4O/c1-2-23-16-11-7-6-10-15(16)21-18-14(19(23)24)12-20-17(22-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,21,22)
InChIKeyBOVZUXBDAUSWNO-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butyl-11-(2-chloroacetyl)-2-phenylpyrimido[5,4-c][1,5]benzodiazepin-5-one
CID 20554384
11-(2-chloroacetyl)-6-methyl-2-phenylpyrimido[4,5-b][1,5]benzodiazepin-5-one
CID 20554372
2-phenyl-5,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-6-one
CID 140561957
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
3-ethyl-7-phenyl-2-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one
CID 95916029
(5Z)-5-[(2-phenylpyrimidin-5-yl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 5415573
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
N-ethyl-2-(8-oxo-2-phenyl-7H-purin-9-yl)acetamide
CID 139915656
bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane
CID 158556368
11-[2-(4-benzylpiperazin-1-yl)acetyl]-6-methyl-2-phenylpyrimido[4,5-b][1,5]benzodiazepin-5-one
CID 20554332
3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one
CID 6508433

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one?
The IUPAC name of 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one (CID 20554331) is 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one is CCN1C(=O)c2cnc(-c3ccccc3)nc2Nc2ccccc21.
What is the InChIKey of 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one?
The InChIKey is BOVZUXBDAUSWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-23-16-11-7-6-10-15(16)21-18-14(19(23)24)12-20-17(22-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,21,22).
What are the key properties of 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one?
6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one has a molecular weight of 316.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 20554331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).